Vitas-M small molecule compound
methyl 3-{1-[2-(3,4-dihydroxyphenyl)ethyl]-2-hydroxy-6-methyl-4-oxo-1,4-dihydropyridin-3-yl}-3-[3-(hydroxymethyl)-4-methoxyphenyl]propanoate
Catalog ID
STL548090
SMILES COC(=O)CC(c1c(=O)cc(n(c1O)CCc1ccc(c(c1)O)O)C)c1ccc(c(c1)CO)OC
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We supply compounds in quantities from 1 mg up to 5 g for research and development purposes only.
We do not supply quantities above 5 g.
Structure and other identifiers
2D representation rendered from the SMILES, with core physicochemical data.Formula C26H29NO8 MW 483.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H29NO8/c1-15-10-22(31)25(26(33)27(15)9-8-16-4-6-20(29)21(30)11-16)19(13-24(32)35-3)17-5-7-23(34-2)18(12-17)14-28/h4-7,10-12,19,28-30,33H,8-9,13-14H2,1-3H3InChIKey
BGFWWXKROVBBBU-UHFFFAOYSA-NSynonyms
InChI=1SC26H29NO8c1151022(31)25(26(33)27(15)98164620(29)21(30)1116)19(1324(32)353)175723(342)18(1217)1428h47101219283033H891314H213H3
methyl3(1(2(34dihydroxyphenyl)ethyl)2hydroxy6methyl4oxo14dihydropyridin3yl)3(3(hydroxymethyl)4methoxyphenyl)propanoate
MFCD31756687
ZINC000409413358
ZINC000409413359
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